Butyl cyanoacetate

Base Information Edit

Chemical Name:Butyl cyanoacetate
CAS No.:5459-58-5
Molecular Formula:C7H11NO2
Molecular Weight:141.17
Hs Code.:29269090
European Community (EC) Number:226-730-1
NSC Number:24260
UNII:F9H6L20VOH
DSSTox Substance ID:DTXSID1044439
Nikkaji Number:J134.026C
Wikidata:Q27277852
ChEMBL ID:CHEMBL3186378
Mol file:5459-58-5.mol

Synonyms:Butyl cyanoacetate;butyl 2-cyanoacetate;5459-58-5;n-Butyl cyanoacetate;Acetic acid, cyano-, butyl ester;Cyanoacetic Acid Butyl Ester;Cyanoacetic acid n-butyl ester;EINECS 226-730-1;Acetic acid, 2-cyano-, butyl ester;UNII-F9H6L20VOH;BRN 1761735;F9H6L20VOH;DTXSID1044439;NSC-24260;EC 226-730-1;Butyl cyanoacetate, 95%;SCHEMBL317392;CHEMBL3186378;DTXCID9024439;NSC24260;Tox21_302126;MFCD00001941;N-BUTYL .ALPHA.-CYANOACETATE;NSC 24260;AKOS009031192;CS-W016439;FS-4205;NCGC00255746-01;CAS-5459-58-5;FT-0658092;EN300-21392;E83020;A830258;Butyl cyanoacetate, Lonza quality, >=99.0% (GC);W-105614;Q27277852

Suppliers and Price of Butyl cyanoacetate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TCI Chemical
Butyl Cyanoacetate >98.0%(GC)
25g
$ 22.00

TCI Chemical
Butyl Cyanoacetate >98.0%(GC)
500g
$ 162.00

Sigma-Aldrich
Butyl cyanoacetate Lonza quality, ≥99.0% (GC)
200kg
$ 14460.00

Sigma-Aldrich
Butyl cyanoacetate Lonza quality, ≥99.0% (GC)
25kg
$ 4870.00

Sigma-Aldrich
Butyl cyanoacetate Lonza quality, ≥99.0% (GC)
1kg
$ 326.00

Sigma-Aldrich
Butyl cyanoacetate 95%
100ml
$ 61.90

Frontier Specialty Chemicals
Butyl cyanoacetate 99%
25g
$ 49.00

Frontier Specialty Chemicals
Butyl cyanoacetate 99%
100g
$ 109.00

Crysdot
Butyl2-cyanoacetate 95+%
25g
$ 75.00

Apolloscientific
N-Butylcyanoacetate 95%
100g
$ 247.00

Total 107 raw suppliers

Chemical Property of Butyl cyanoacetate Edit

Chemical Property:

Appearance/Colour:Clear liquid
Vapor Pressure:0.0552mmHg at 25°C
Melting Point:-80oC
Refractive Index:n20/D 1.425(lit.)
Boiling Point:233.665 °C at 760 mmHg
PKA:3.06±0.10(Predicted)
Flash Point:87.222 °C
PSA：50.09000
Density:1.002 g/cm³
LogP:1.24338
Storage Temp.:2-8°C
Water Solubility.:IMMISCIBLE
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:141.078978594
Heavy Atom Count:10
Complexity:145

Purity/Quality:

>98% ^*data from raw suppliers

Butyl Cyanoacetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCOC(=O)CC#N
Uses Butyl cyanoacetate is used as intermediate for numerous organic syntheses, e.g. alpha-cyanoacrylic adhesives. Product Data Sheet

Technology Process of Butyl cyanoacetate

There total 7 articles about Butyl cyanoacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%